N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine

C17H18N6O — CID 167786466

IUPACN-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine
SMILESCc1cc(-c2noc(-c3cc4n(n3)CCC4)n2)cc(NC2CC2)n1
InChIInChI=1S/C17H18N6O/c1-10-7-11(8-15(18-10)19-12-4-5-12)16-20-17(24-22-16)14-9-13-3-2-6-23(13)21-14/h7-9,12H,2-6H2,1H3,(H,18,19)
InChIKeyJJSGOYAPRIPUTH-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.82
Rot. Bonds4

About N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine

N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine (PubChem CID 167786466) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine
PubChem CID167786466
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine
SMILESCc1cc(-c2noc(-c3cc4n(n3)CCC4)n2)cc(NC2CC2)n1
InChIInChI=1S/C17H18N6O/c1-10-7-11(8-15(18-10)19-12-4-5-12)16-20-17(24-22-16)14-9-13-3-2-6-23(13)21-14/h7-9,12H,2-6H2,1H3,(H,18,19)
InChIKeyJJSGOYAPRIPUTH-UHFFFAOYSA-N
XLogP2.82
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine?
The IUPAC name of N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine (CID 167786466) is N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine is Cc1cc(-c2noc(-c3cc4n(n3)CCC4)n2)cc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine?
The InChIKey is JJSGOYAPRIPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-10-7-11(8-15(18-10)19-12-4-5-12)16-20-17(24-22-16)14-9-13-3-2-6-23(13)21-14/h7-9,12H,2-6H2,1H3,(H,18,19).
What are the key properties of N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine?
N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine has a molecular weight of 322.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine is sourced from PubChem (CID 167786466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).